CID 12888377

36175-35-6

Structural Information

Molecular Formula

C₅H₇N₃

SMILES

C1CC1N2C=NN=C2

InChI

InChI=1S/C5H7N3/c1-2-5(1)8-3-6-7-4-8/h3-5H,1-2H2

InChIKey

BMHJVMAHIYFSOF-UHFFFAOYSA-N

Compound name

4-cyclopropyl-1,2,4-triazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 109.063995 Da
Monoisotopic Mass: -0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	110.071271	127.9
[M+Na]+	132.053213	139.0
[M-H]-	108.056719	131.5
[M+NH4]+	127.097818	143.5
[M+K]+	148.027153	136.4
[M+H-H2O]+	92.061255	119.4
[M+HCOO]-	154.062196	150.9
[M+CH3COO]-	168.077846	141.5
[M+Na-2H]-	130.038661	135.1
[M]+	109.06344642	129.3
[M]-	109.06454358	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe